(13Cis)-15,15'-Didehydro-β,β-Carotene

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Properties Simple | Detailed

Formula C40H54
IUPAC Name (1r,6r,7s)-5-methyl-6-[2-(2-prop-1-ynylcyclopropyl)ethynyl]bicyclo[5.1.0]oct-4-ene; (1z,3z)-1-methyl-8-[[(2r)-2-prop-1-ynylcyclopropylidene]methylene]cycloocta-1,3-diene
Molecular Mass 534.857 g·mol−1
Heat of Formation 304.1 ± 16.7 kJ·mol−1
Dipole Moment 0.42 ± 1.08 D
Volume 778.13 Å 3
Surface Area 660.09 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,3-trimethyl-2-[(1e,3e,5e,7e,11z,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]cyclohexene
  • 15,15'-dehydro-beta-carotene
  • 15,15'-didehydro-beta,beta-carotene
  • beta,beta-carotene, 15,15'-didehydro-
CAS Number(s)
  • 4481-69-0
InChIKey USOYOVIXFHOMRI-BMRNFGFJSA-N
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